1.1k citations · 3.4k across the 86 of their papers we have counts for
88 papers
Unveiling the effect of Ni on the formation and structure of Earth's inner core
Yang Sun, Mikhail I. Mendelev, Feng Zhang +5
Ni is the second most abundant element in the Earth's core. Yet, its effects on the inner core's structure and formation process are usually disregarded because of its electronic a…
Metallization and Spin Fluctuations in Cu-doped Lead Apatite
Yang Sun, Kai-Ming Ho, Vladimir Antropov
An electronic structure and magnetic properties analysis of the recently proposed Cu-doped lead apatite is performed. We show that electronic structures of differently Cu-substitut…
Structural prediction of Fe-Mg-O compounds at Super-Earth's pressures
Yimei Fang, Yang Sun, Renhai Wang +6
Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of solar-terrestrial ob…
Effect of Doping on the phase stability and Superconductivity in LaH10
Zepeng Wu, Yang Sun, Artur P. Durajski +4
We present a computational investigation into the effects of chemical doping with 15 different elements on phase stability and superconductivity in the LaH10 structure. Most doping…
Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in Zirconium Pentatelluride
Tao Jiang, Peter P. Orth, Liang Luo +7
Laser-driven coherent phonons can act as modulated strain fields and modify the adiabatic ground state topology of quantum materials. Here we use time-dependent first-principles an…
Machine learning guided discovery of superconducting calcium borocarbides
Chao Zhang, Hui Tang, Chen Pan +4
Pursuit of superconductivity in light-element systems at ambient pressure is of great experimental and theoretical interest. In this work, we combine a machine learning (ML) method…